5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile

C14H16N4O2 — CID 133491455

IUPAC5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCOCCN(Cc1ccc(C)o1)c1cnc(C#N)cn1
InChIInChI=1S/C14H16N4O2/c1-11-3-4-13(20-11)10-18(5-6-19-2)14-9-16-12(7-15)8-17-14/h3-4,8-9H,5-6,10H2,1-2H3
InChIKeyCAGWKGHYMNUZCZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.90
Rot. Bonds6

About 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile

5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile (PubChem CID 133491455) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile
PubChem CID133491455
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCOCCN(Cc1ccc(C)o1)c1cnc(C#N)cn1
InChIInChI=1S/C14H16N4O2/c1-11-3-4-13(20-11)10-18(5-6-19-2)14-9-16-12(7-15)8-17-14/h3-4,8-9H,5-6,10H2,1-2H3
InChIKeyCAGWKGHYMNUZCZ-UHFFFAOYSA-N
XLogP1.90
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile (CID 133491455) is 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile is COCCN(Cc1ccc(C)o1)c1cnc(C#N)cn1.
What is the InChIKey of 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile?
The InChIKey is CAGWKGHYMNUZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-3-4-13(20-11)10-18(5-6-19-2)14-9-16-12(7-15)8-17-14/h3-4,8-9H,5-6,10H2,1-2H3.
What are the key properties of 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile?
5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).